3,6-Dimethyl-3H-benzothiazol-2-ylideneamine

Base Information

• Chemical Name: 3,6-Dimethyl-3H-benzothiazol-2-ylideneamine
• CAS No.: 52853-54-0
• Molecular Formula: C₉H₁₀N₂S
• Molecular Weight: 178.258
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00365924
• Wikidata: Q82150965
• Mol file: 52853-54-0.mol

Synonyms:52853-54-0;3,6-Dimethyl-3H-benzothiazol-2-ylideneamine;3,6-dimethyl-1,3-benzothiazol-2-imine;3,6-dimethyl-2,3-dihydro-1,3-benzothiazol-2-imine;3,6-Dimethylbenzo[d]thiazol-2(3H)-imine;3,6-dimethyl-1,3-benzothiazol-2(3H)-imine;DTXSID00365924;CCA85354;MFCD03030156;AKOS000122155;EN300-02282;5X-0942;F1386-0368

Chemical Property of 3,6-Dimethyl-3H-benzothiazol-2-ylideneamine

Chemical Property:

• Vapor Pressure: 0.00235mmHg at 25°C
• Refractive Index: 1.664
• Boiling Point: 288.4 °C at 760 mmHg
• Flash Point: 128.2 °C
• PSA: 57.02000
• Density: 1.26 g/cm³
• LogP: 2.12740
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.05646950
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

3,6-DIMETHYL-3H-BENZOTHIAZOL-2-YLIDENEAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N(C(=N)S2)C
• Uses: 3,6-Dimethyl-1,3-benzothiazol-2(3H)-imine is used as a reactant in the preparation of benzothiazole and related compounds via cyclization, ring transformations, aromatization and substituent modification.

Technology Process of 3,6-Dimethyl-3H-benzothiazol-2-ylideneamine

There total 3 articles about 3,6-Dimethyl-3H-benzothiazol-2-ylideneamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-methyl-p-toluidine (623-08-5) + sodium thiocyanide (540-72-7) → 3,6-dimethyl-3H-benzothiazol-2-ylideneamine (52853-54-0)

Guidance literature:

With bromine; acetic acid; Behandeln des Bromids mit wss. Alkali;

DOI:10.1021/ja01299a018

Reference yield:

6-methylbenzothiazol-2-ylamine (2536-91-6) + methyl iodide (74-88-4) → 3,6-dimethyl-3H-benzothiazol-2-ylideneamine (52853-54-0)

Guidance literature:

Behandeln des jeweiligen Salzes mit wss. Alkali;

DOI:10.1021/ja01299a018

Reference yield:

6-methylbenzothiazol-2-ylamine (2536-91-6) + dimethyl sulfate (77-78-1) → 3,6-dimethyl-3H-benzothiazol-2-ylideneamine (52853-54-0)

Guidance literature:

Behandeln des jeweiligen Salzes mit wss. Alkali;

DOI:10.1021/ja01299a018

upstream raw materials:

6-methylbenzothiazol-2-ylamine

dimethyl sulfate

methyl iodide

N-methyl-p-toluidine